This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
4a6s
From Proteopedia
(Difference between revisions)
| Line 1: | Line 1: | ||
| - | + | ==Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside== | |
| - | + | <StructureSection load='4a6s' size='340' side='right' caption='[[4a6s]], [[Resolution|resolution]] 2.15Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[4a6s]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_pao1 Pseudomonas aeruginosa pao1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A6S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A6S FirstGlance]. <br> | |
| - | ==Function== | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GS9:NAPHTHALEN-2-YL+1-THIO-BETA-D-GALACTOPYRANOSIDE'>GS9</scene></td></tr> |
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1uoj|1uoj]], [[1l7l|1l7l]], [[2vxj|2vxj]], [[1oko|1oko]], [[3zyh|3zyh]], [[2wyf|2wyf]], [[3zyb|3zyb]], [[3zyf|3zyf]]</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4a6s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a6s OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4a6s RCSB], [http://www.ebi.ac.uk/pdbsum/4a6s PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
[[http://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE]] D-galactose specific lectin. Binds in decreasing order of affinity: melibiose, methyl-alpha-D-galactoside, D-galactose, methyl-beta-D-galactoside, N-acetyl-D-galactosamine. Similar to plant lectins in its selective (carbohydrate-specific) hemagglutinating activity. | [[http://www.uniprot.org/uniprot/PA1L_PSEAE PA1L_PSEAE]] D-galactose specific lectin. Binds in decreasing order of affinity: melibiose, methyl-alpha-D-galactoside, D-galactose, methyl-beta-D-galactoside, N-acetyl-D-galactosamine. Similar to plant lectins in its selective (carbohydrate-specific) hemagglutinating activity. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Three small families of hydrolytically stable thioaryl glycosides were prepared as inhibitors of the LecA (PA-IL) virulence factor corresponding to the carbohydrate binding lectin from the bacterial pathogen Pseudomonas aeruginosa. The monosaccharidic arylthio beta-d-galactopyranosides served as a common template for the major series that was also substituted at the O-3 position. Arylthio disaccharides from lactose and from melibiose constituted the other two series members. In spite of the fact that the natural ligand for LecA is a glycolipid of the globotriaosylceramide having an alpha-d-galactopyranoside epitope, this study illustrated that the beta-d-galactopyranoside configuration having a hydrophobic aglycon could override the requirement toward the anomeric configuration of the natural sugar. The enzyme linked lectin assay together with isothermal titration microcalorimetry established that naphthyl 1-thio-beta-d-galactopyranoside () gave the best inhibition with an IC50 twenty-three times better than that of the reference methyl alpha-d-galactopyranoside. In addition it showed a KD of 6.3 muM which was ten times better than that of the reference compound. The X-ray crystal structure of LecA with was also obtained. | ||
| + | |||
| + | Aromatic thioglycoside inhibitors against the virulence factor LecA from Pseudomonas aeruginosa.,Rodrigue J, Ganne G, Blanchard B, Saucier C, Giguere D, Shiao TC, Varrot A, Imberty A, Roy R Org Biomol Chem. 2013 Sep 25;11(40):6906-18. doi: 10.1039/c3ob41422a. PMID:24057051<ref>PMID:24057051</ref> | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | + | *[[Galactose-binding lectin|Galactose-binding lectin]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Pseudomonas aeruginosa pao1]] | [[Category: Pseudomonas aeruginosa pao1]] | ||
| - | [[Category: Blanchard, B | + | [[Category: Blanchard, B]] |
| - | [[Category: Chiao, T S | + | [[Category: Chiao, T S]] |
| - | [[Category: Ganne, G | + | [[Category: Ganne, G]] |
| - | [[Category: Giguere, D | + | [[Category: Giguere, D]] |
| - | [[Category: Imberty, A | + | [[Category: Imberty, A]] |
| - | [[Category: Rodrigue, J | + | [[Category: Rodrigue, J]] |
| - | [[Category: Roy, R | + | [[Category: Roy, R]] |
| - | [[Category: Saucier, C | + | [[Category: Saucier, C]] |
| - | [[Category: Varrot, A | + | [[Category: Varrot, A]] |
[[Category: Glycomimetic]] | [[Category: Glycomimetic]] | ||
[[Category: Sugar-binding protein]] | [[Category: Sugar-binding protein]] | ||
Revision as of 23:06, 24 December 2014
Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside
| |||||||||||
